SCHEMBL949074

SCHEMBL949074

CCCCCCCCOc1cccc(CNCCC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.50
CACNA1B Q00975 1/20 0.48
KCNH2 Q12809 1/20 0.48
GGPS1 O95749 2/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PLA2G4B P0C869 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 2/20 0.45
SMPD1 P17405 3/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL948051 1.00 CYP2D6 (0.50) CYP2D6CACNA1BKCNH2GGPS1CNR1
SCHEMBL947516 1.00 CYP2D6 (0.50) CYP2D6CACNA1BKCNH2GGPS1CNR1
SCHEMBL947429 1.00 CYP2D6 (0.50) CYP2D6CACNA1BKCNH2GGPS1CNR1
SCHEMBL951257 1.00 CYP2D6 (0.50) CYP2D6CACNA1BKCNH2GGPS1CNR1
SCHEMBL948329 0.99 CYP2D6 (0.49) CYP2D6CACNA1BKCNH2GGPS1CNR1
SCHEMBL947422 0.96 CYP2D6 (0.48) CYP2D6CACNA1BKCNH2KDM4EMAPK1
SCHEMBL947012 0.91 CYP2D6 (0.59) CYP2D6CACNA1BKCNH2GGPS1CNR1
SCHEMBL946346 0.91 CYP2D6 (0.59) CYP2D6CACNA1BKCNH2GGPS1CNR1
SCHEMBL949916 0.91 CYP2D6 (0.59) CYP2D6CACNA1BKCNH2GGPS1CNR1
SCHEMBL947791 0.91 CYP2D6 (0.59) CYP2D6CACNA1BKCNH2GGPS1CNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
CN-101407471-A Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2009-04-15 CN disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 CYP2D6 1819/4885CACNA1B 1722/4885KCNH2 1238/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 CYP2D6 594/4885CACNA1B 2527/4885KCNH2 1903/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 CYP2D6 594/4885CACNA1B 2527/4885KCNH2 1903/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.